USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 CYS SG : rot -133:sc= -1.2 USER MOD Set 1.2: A 10 CYS SG : rot 50:sc= -0.321 USER MOD Set 1.3: A 12 ASN : amide:sc= -9.75! C(o=-17!,f=-18!) USER MOD Set 1.4: A 54 CYS SG : rot -64:sc= -2.04 USER MOD Set 1.5: A 57 HIS : no HE2:sc= -3.29 K(o=-17,f=-22!) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0.00253 USER MOD Set 2.2: A 55 SER OG : rot 110:sc= 1.09 USER MOD Single : A 3 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.0018) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0182 USER MOD Single : A 6 SER OG : rot 130:sc= -4.27! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -145:sc= -0.46 (180deg=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ -158:sc= -0.237 (180deg=-1.06) USER MOD Single : A 23 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-0.37) USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0128) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.171 USER MOD Single : A 31 SER OG : rot 180:sc= -0.475 USER MOD Single : A 33 CYS SG : rot 132:sc= 0.0239 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 159:sc= -0.0328 (180deg=-0.249) USER MOD Single : A 44 ASN : amide:sc= -2.4 K(o=-2.4,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= -0.298 (180deg=-1.22!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -147:sc= -1.6 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00737 USER MOD Single : A 62 CYS SG : rot -57:sc= 0.0837 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 79 THR OG1 : rot 130:sc= -0.908 USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -9.434 9.771 10.160 1.00 0.00 N ATOM 21 CA VAL A 2 -9.434 8.678 11.128 1.00 0.00 C ATOM 22 C VAL A 2 -8.273 7.718 10.878 1.00 0.00 C ATOM 23 O VAL A 2 -8.289 6.579 11.347 1.00 0.00 O ATOM 24 CB VAL A 2 -10.762 7.892 11.101 1.00 0.00 C ATOM 25 CG1 VAL A 2 -10.840 6.940 12.284 1.00 0.00 C ATOM 26 CG2 VAL A 2 -11.947 8.847 11.102 1.00 0.00 C ATOM 0 HA VAL A 2 -9.317 9.132 12.112 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.797 7.304 10.184 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -11.783 6.394 12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -10.010 6.235 12.239 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -10.783 7.508 13.213 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -12.875 8.275 11.083 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.918 9.462 12.002 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.898 9.489 10.222 1.00 0.00 H new ATOM 36 N GLN A 3 -7.271 8.178 10.129 1.00 0.00 N ATOM 37 CA GLN A 3 -6.115 7.356 9.812 1.00 0.00 C ATOM 38 C GLN A 3 -5.101 8.167 9.026 1.00 0.00 C ATOM 39 O GLN A 3 -5.457 8.917 8.119 1.00 0.00 O ATOM 40 CB GLN A 3 -6.553 6.138 8.992 1.00 0.00 C ATOM 41 CG GLN A 3 -5.426 5.378 8.295 1.00 0.00 C ATOM 42 CD GLN A 3 -5.157 4.027 8.927 1.00 0.00 C ATOM 43 OE1 GLN A 3 -4.602 3.939 10.022 1.00 0.00 O ATOM 44 NE2 GLN A 3 -5.551 2.962 8.237 1.00 0.00 N ATOM 0 H GLN A 3 -7.241 9.117 9.732 1.00 0.00 H new ATOM 0 HA GLN A 3 -5.656 7.017 10.740 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.080 5.448 9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -7.267 6.467 8.237 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.682 5.239 7.245 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -4.516 5.977 8.325 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -6.008 3.081 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -5.397 2.026 8.612 1.00 0.00 H new ATOM 53 N SER A 4 -3.844 8.007 9.378 1.00 0.00 N ATOM 54 CA SER A 4 -2.770 8.721 8.701 1.00 0.00 C ATOM 55 C SER A 4 -2.109 7.857 7.635 1.00 0.00 C ATOM 56 O SER A 4 -2.352 6.655 7.539 1.00 0.00 O ATOM 57 CB SER A 4 -1.713 9.206 9.690 1.00 0.00 C ATOM 58 OG SER A 4 -2.018 8.792 11.010 1.00 0.00 O ATOM 0 H SER A 4 -3.535 7.390 10.129 1.00 0.00 H new ATOM 0 HA SER A 4 -3.225 9.586 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.736 8.819 9.401 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.648 10.293 9.653 1.00 0.00 H new ATOM 0 HG SER A 4 -1.324 9.114 11.623 1.00 0.00 H new ATOM 64 N CYS A 5 -1.281 8.506 6.835 1.00 0.00 N ATOM 65 CA CYS A 5 -0.565 7.859 5.747 1.00 0.00 C ATOM 66 C CYS A 5 0.839 8.467 5.631 1.00 0.00 C ATOM 67 O CYS A 5 1.160 9.416 6.345 1.00 0.00 O ATOM 68 CB CYS A 5 -1.413 8.015 4.478 1.00 0.00 C ATOM 69 SG CYS A 5 -0.565 8.676 3.027 1.00 0.00 S ATOM 0 H CYS A 5 -1.085 9.503 6.922 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.418 6.793 5.922 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -1.825 7.039 4.219 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -2.256 8.666 4.708 1.00 0.00 H new ATOM 0 HG CYS A 5 -1.291 9.610 2.488 1.00 0.00 H new ATOM 74 N SER A 6 1.685 7.915 4.763 1.00 0.00 N ATOM 75 CA SER A 6 3.049 8.421 4.620 1.00 0.00 C ATOM 76 C SER A 6 3.075 9.745 3.875 1.00 0.00 C ATOM 77 O SER A 6 3.763 10.682 4.279 1.00 0.00 O ATOM 78 CB SER A 6 3.923 7.401 3.895 1.00 0.00 C ATOM 79 OG SER A 6 5.282 7.799 3.911 1.00 0.00 O ATOM 0 H SER A 6 1.455 7.128 4.156 1.00 0.00 H new ATOM 0 HA SER A 6 3.446 8.586 5.622 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.820 6.425 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.584 7.292 2.865 1.00 0.00 H new ATOM 0 HG SER A 6 5.838 7.053 4.219 1.00 0.00 H new ATOM 85 N ALA A 7 2.326 9.806 2.783 1.00 0.00 N ATOM 86 CA ALA A 7 2.254 11.014 1.957 1.00 0.00 C ATOM 87 C ALA A 7 2.233 12.279 2.815 1.00 0.00 C ATOM 88 O ALA A 7 1.292 12.515 3.574 1.00 0.00 O ATOM 89 CB ALA A 7 1.031 10.965 1.054 1.00 0.00 C ATOM 0 H ALA A 7 1.755 9.032 2.443 1.00 0.00 H new ATOM 0 HA ALA A 7 3.150 11.048 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.991 11.869 0.446 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.094 10.093 0.403 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.130 10.898 1.664 1.00 0.00 H new ATOM 95 N TYR A 8 3.286 13.084 2.695 1.00 0.00 N ATOM 96 CA TYR A 8 3.408 14.322 3.460 1.00 0.00 C ATOM 97 C TYR A 8 2.156 15.187 3.335 1.00 0.00 C ATOM 98 O TYR A 8 1.698 15.480 2.229 1.00 0.00 O ATOM 99 CB TYR A 8 4.633 15.111 2.990 1.00 0.00 C ATOM 100 CG TYR A 8 4.954 16.309 3.855 1.00 0.00 C ATOM 101 CD1 TYR A 8 5.170 16.165 5.220 1.00 0.00 C ATOM 102 CD2 TYR A 8 5.040 17.582 3.307 1.00 0.00 C ATOM 103 CE1 TYR A 8 5.461 17.257 6.015 1.00 0.00 C ATOM 104 CE2 TYR A 8 5.334 18.679 4.095 1.00 0.00 C ATOM 105 CZ TYR A 8 5.542 18.511 5.449 1.00 0.00 C ATOM 106 OH TYR A 8 5.832 19.601 6.237 1.00 0.00 O ATOM 0 H TYR A 8 4.072 12.899 2.071 1.00 0.00 H new ATOM 0 HA TYR A 8 3.527 14.053 4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 8 5.497 14.446 2.971 1.00 0.00 H new ATOM 0 HB3 TYR A 8 4.467 15.447 1.967 1.00 0.00 H new ATOM 0 HD1 TYR A 8 5.109 15.184 5.667 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.875 17.717 2.248 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.624 17.128 7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.401 19.662 3.653 1.00 0.00 H new ATOM 0 HH TYR A 8 5.853 20.409 5.683 1.00 0.00 H new ATOM 116 N GLY A 9 1.609 15.596 4.477 1.00 0.00 N ATOM 117 CA GLY A 9 0.418 16.428 4.483 1.00 0.00 C ATOM 118 C GLY A 9 -0.683 15.878 3.605 1.00 0.00 C ATOM 119 O GLY A 9 -1.270 16.600 2.799 1.00 0.00 O ATOM 0 H GLY A 9 1.971 15.365 5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.050 16.521 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.679 17.431 4.146 1.00 0.00 H new ATOM 123 N CYS A 10 -0.956 14.598 3.763 1.00 0.00 N ATOM 124 CA CYS A 10 -1.986 13.932 2.986 1.00 0.00 C ATOM 125 C CYS A 10 -3.381 14.343 3.462 1.00 0.00 C ATOM 126 O CYS A 10 -3.546 14.826 4.582 1.00 0.00 O ATOM 127 CB CYS A 10 -1.807 12.413 3.073 1.00 0.00 C ATOM 128 SG CYS A 10 -2.934 11.486 2.011 1.00 0.00 S ATOM 0 H CYS A 10 -0.475 13.993 4.428 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.887 14.237 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.781 12.161 2.806 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.954 12.098 4.106 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.895 11.974 0.807 1.00 0.00 H new ATOM 133 N LYS A 11 -4.382 14.161 2.599 1.00 0.00 N ATOM 134 CA LYS A 11 -5.755 14.522 2.924 1.00 0.00 C ATOM 135 C LYS A 11 -6.640 13.290 3.058 1.00 0.00 C ATOM 136 O LYS A 11 -7.857 13.358 2.886 1.00 0.00 O ATOM 137 CB LYS A 11 -6.323 15.458 1.856 1.00 0.00 C ATOM 138 CG LYS A 11 -7.497 16.288 2.340 1.00 0.00 C ATOM 139 CD LYS A 11 -7.026 17.609 2.919 1.00 0.00 C ATOM 140 CE LYS A 11 -8.139 18.310 3.680 1.00 0.00 C ATOM 141 NZ LYS A 11 -9.112 18.966 2.764 1.00 0.00 N ATOM 0 H LYS A 11 -4.262 13.764 1.667 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.744 15.035 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.533 16.126 1.513 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.637 14.867 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.182 16.473 1.513 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.053 15.733 3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -6.181 17.435 3.585 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.671 18.254 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.661 17.587 4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.708 19.057 4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.855 19.432 3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.619 19.674 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.543 18.250 2.145 1.00 0.00 H new ATOM 155 N ASN A 12 -6.013 12.172 3.372 1.00 0.00 N ATOM 156 CA ASN A 12 -6.707 10.909 3.542 1.00 0.00 C ATOM 157 C ASN A 12 -7.635 10.941 4.748 1.00 0.00 C ATOM 158 O ASN A 12 -7.479 11.770 5.645 1.00 0.00 O ATOM 159 CB ASN A 12 -5.682 9.807 3.734 1.00 0.00 C ATOM 160 CG ASN A 12 -4.903 9.990 5.022 1.00 0.00 C ATOM 161 OD1 ASN A 12 -5.477 10.207 6.087 1.00 0.00 O ATOM 162 ND2 ASN A 12 -3.593 9.901 4.926 1.00 0.00 N ATOM 0 H ASN A 12 -5.005 12.114 3.517 1.00 0.00 H new ATOM 0 HA ASN A 12 -7.310 10.726 2.653 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -6.184 8.840 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -4.993 9.798 2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.012 10.013 5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -3.159 9.720 4.021 1.00 0.00 H new ATOM 169 N ARG A 13 -8.583 10.017 4.773 1.00 0.00 N ATOM 170 CA ARG A 13 -9.521 9.925 5.893 1.00 0.00 C ATOM 171 C ARG A 13 -10.271 8.599 5.897 1.00 0.00 C ATOM 172 O ARG A 13 -11.086 8.331 5.013 1.00 0.00 O ATOM 173 CB ARG A 13 -10.520 11.085 5.869 1.00 0.00 C ATOM 174 CG ARG A 13 -10.737 11.693 4.489 1.00 0.00 C ATOM 175 CD ARG A 13 -11.643 12.916 4.545 1.00 0.00 C ATOM 176 NE ARG A 13 -12.901 12.698 3.834 1.00 0.00 N ATOM 177 CZ ARG A 13 -13.970 12.117 4.374 1.00 0.00 C ATOM 178 NH1 ARG A 13 -13.939 11.686 5.630 1.00 0.00 N ATOM 179 NH2 ARG A 13 -15.074 11.965 3.658 1.00 0.00 N ATOM 0 H ARG A 13 -8.727 9.323 4.039 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.929 9.984 6.807 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.477 10.733 6.254 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.171 11.864 6.546 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.775 11.973 4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.176 10.946 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.853 13.164 5.585 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.125 13.771 4.111 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.964 13.010 2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.092 11.799 6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.762 11.242 6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -15.105 12.293 2.693 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.893 11.520 4.072 1.00 0.00 H new ATOM 193 N TYR A 14 -9.997 7.773 6.906 1.00 0.00 N ATOM 194 CA TYR A 14 -10.653 6.481 7.033 1.00 0.00 C ATOM 195 C TYR A 14 -12.068 6.643 7.581 1.00 0.00 C ATOM 196 O TYR A 14 -12.308 6.451 8.774 1.00 0.00 O ATOM 197 CB TYR A 14 -9.838 5.582 7.956 1.00 0.00 C ATOM 198 CG TYR A 14 -10.347 4.159 8.019 1.00 0.00 C ATOM 199 CD1 TYR A 14 -10.546 3.421 6.860 1.00 0.00 C ATOM 200 CD2 TYR A 14 -10.632 3.557 9.238 1.00 0.00 C ATOM 201 CE1 TYR A 14 -11.013 2.122 6.913 1.00 0.00 C ATOM 202 CE2 TYR A 14 -11.098 2.258 9.300 1.00 0.00 C ATOM 203 CZ TYR A 14 -11.287 1.545 8.135 1.00 0.00 C ATOM 204 OH TYR A 14 -11.751 0.251 8.192 1.00 0.00 O ATOM 0 H TYR A 14 -9.325 7.979 7.645 1.00 0.00 H new ATOM 0 HA TYR A 14 -10.719 6.025 6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.801 5.574 7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.843 6.006 8.960 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.332 3.870 5.901 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -10.487 4.114 10.152 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -11.163 1.561 6.002 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -11.313 1.803 10.256 1.00 0.00 H new ATOM 0 HH TYR A 14 -11.893 -0.005 9.127 1.00 0.00 H new ATOM 214 N ASP A 15 -13.004 6.999 6.705 1.00 0.00 N ATOM 215 CA ASP A 15 -14.393 7.186 7.107 1.00 0.00 C ATOM 216 C ASP A 15 -15.279 6.091 6.525 1.00 0.00 C ATOM 217 O ASP A 15 -14.961 5.506 5.490 1.00 0.00 O ATOM 218 CB ASP A 15 -14.898 8.556 6.658 1.00 0.00 C ATOM 219 CG ASP A 15 -16.201 8.941 7.330 1.00 0.00 C ATOM 220 OD1 ASP A 15 -17.243 8.337 6.997 1.00 0.00 O ATOM 221 OD2 ASP A 15 -16.181 9.848 8.190 1.00 0.00 O ATOM 0 H ASP A 15 -12.825 7.163 5.714 1.00 0.00 H new ATOM 0 HA ASP A 15 -14.440 7.129 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.142 9.309 6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -15.037 8.552 5.577 1.00 0.00 H new ATOM 226 N LYS A 16 -16.396 5.821 7.194 1.00 0.00 N ATOM 227 CA LYS A 16 -17.330 4.797 6.737 1.00 0.00 C ATOM 228 C LYS A 16 -17.816 5.106 5.328 1.00 0.00 C ATOM 229 O LYS A 16 -18.147 4.204 4.557 1.00 0.00 O ATOM 230 CB LYS A 16 -18.521 4.702 7.693 1.00 0.00 C ATOM 231 CG LYS A 16 -19.571 3.681 7.274 1.00 0.00 C ATOM 232 CD LYS A 16 -20.546 3.385 8.405 1.00 0.00 C ATOM 233 CE LYS A 16 -20.454 1.936 8.856 1.00 0.00 C ATOM 234 NZ LYS A 16 -20.451 0.995 7.703 1.00 0.00 N ATOM 0 H LYS A 16 -16.676 6.296 8.052 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.810 3.839 6.723 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.156 4.446 8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.992 5.682 7.769 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.119 4.055 6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.080 2.758 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.337 4.043 9.248 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.563 3.601 8.076 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -19.546 1.795 9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.295 1.705 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -20.960 0.126 7.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.921 1.441 6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -19.470 0.759 7.450 1.00 0.00 H new ATOM 248 N ASP A 17 -17.852 6.388 5.005 1.00 0.00 N ATOM 249 CA ASP A 17 -18.289 6.842 3.696 1.00 0.00 C ATOM 250 C ASP A 17 -17.142 6.772 2.697 1.00 0.00 C ATOM 251 O ASP A 17 -17.252 6.140 1.649 1.00 0.00 O ATOM 252 CB ASP A 17 -18.804 8.275 3.798 1.00 0.00 C ATOM 253 CG ASP A 17 -20.295 8.374 3.537 1.00 0.00 C ATOM 254 OD1 ASP A 17 -21.039 7.484 3.999 1.00 0.00 O ATOM 255 OD2 ASP A 17 -20.718 9.342 2.870 1.00 0.00 O ATOM 0 H ASP A 17 -17.581 7.139 5.639 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.091 6.192 3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -18.585 8.667 4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -18.270 8.902 3.083 1.00 0.00 H new ATOM 260 N LYS A 18 -16.041 7.429 3.041 1.00 0.00 N ATOM 261 CA LYS A 18 -14.860 7.453 2.187 1.00 0.00 C ATOM 262 C LYS A 18 -14.249 6.057 2.068 1.00 0.00 C ATOM 263 O LYS A 18 -13.687 5.537 3.032 1.00 0.00 O ATOM 264 CB LYS A 18 -13.826 8.424 2.754 1.00 0.00 C ATOM 265 CG LYS A 18 -12.602 8.600 1.869 1.00 0.00 C ATOM 266 CD LYS A 18 -12.583 9.966 1.202 1.00 0.00 C ATOM 267 CE LYS A 18 -13.234 9.926 -0.171 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.555 8.961 -1.078 1.00 0.00 N ATOM 0 H LYS A 18 -15.941 7.955 3.910 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.161 7.785 1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.297 9.395 2.904 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -13.507 8.069 3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.699 8.474 2.467 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.590 7.822 1.106 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.104 10.687 1.832 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.553 10.311 1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.284 9.650 -0.067 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.208 10.921 -0.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.757 9.213 -2.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.528 8.995 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.905 8.000 -0.887 1.00 0.00 H new ATOM 282 N PRO A 19 -14.355 5.421 0.885 1.00 0.00 N ATOM 283 CA PRO A 19 -13.816 4.073 0.651 1.00 0.00 C ATOM 284 C PRO A 19 -12.299 4.036 0.511 1.00 0.00 C ATOM 285 O PRO A 19 -11.752 3.270 -0.283 1.00 0.00 O ATOM 286 CB PRO A 19 -14.442 3.683 -0.671 1.00 0.00 C ATOM 287 CG PRO A 19 -14.620 4.987 -1.376 1.00 0.00 C ATOM 288 CD PRO A 19 -15.021 5.946 -0.319 1.00 0.00 C ATOM 0 HA PRO A 19 -14.040 3.413 1.489 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.799 3.007 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -15.394 3.172 -0.528 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.697 5.301 -1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.382 4.915 -2.152 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.694 6.960 -0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.104 5.981 -0.197 1.00 0.00 H new ATOM 296 N VAL A 20 -11.638 4.866 1.278 1.00 0.00 N ATOM 297 CA VAL A 20 -10.183 4.952 1.255 1.00 0.00 C ATOM 298 C VAL A 20 -9.546 3.824 2.064 1.00 0.00 C ATOM 299 O VAL A 20 -9.975 3.523 3.178 1.00 0.00 O ATOM 300 CB VAL A 20 -9.699 6.311 1.801 1.00 0.00 C ATOM 301 CG1 VAL A 20 -9.889 6.390 3.309 1.00 0.00 C ATOM 302 CG2 VAL A 20 -8.246 6.553 1.426 1.00 0.00 C ATOM 0 H VAL A 20 -12.084 5.504 1.938 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.874 4.855 0.214 1.00 0.00 H new ATOM 0 HB VAL A 20 -10.304 7.095 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.540 7.358 3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.946 6.273 3.549 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.317 5.596 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.924 7.517 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.625 5.763 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.146 6.553 0.341 1.00 0.00 H new ATOM 312 N SER A 21 -8.517 3.207 1.493 1.00 0.00 N ATOM 313 CA SER A 21 -7.811 2.116 2.153 1.00 0.00 C ATOM 314 C SER A 21 -6.388 2.529 2.510 1.00 0.00 C ATOM 315 O SER A 21 -5.862 3.507 1.980 1.00 0.00 O ATOM 316 CB SER A 21 -7.779 0.878 1.256 1.00 0.00 C ATOM 317 OG SER A 21 -7.843 1.237 -0.113 1.00 0.00 O ATOM 0 H SER A 21 -8.153 3.446 0.571 1.00 0.00 H new ATOM 0 HA SER A 21 -8.347 1.877 3.071 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.866 0.312 1.444 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.616 0.225 1.503 1.00 0.00 H new ATOM 0 HG SER A 21 -7.819 0.428 -0.665 1.00 0.00 H new ATOM 323 N PHE A 22 -5.771 1.777 3.414 1.00 0.00 N ATOM 324 CA PHE A 22 -4.411 2.061 3.847 1.00 0.00 C ATOM 325 C PHE A 22 -3.559 0.796 3.825 1.00 0.00 C ATOM 326 O PHE A 22 -4.052 -0.304 4.075 1.00 0.00 O ATOM 327 CB PHE A 22 -4.435 2.668 5.248 1.00 0.00 C ATOM 328 CG PHE A 22 -4.877 4.110 5.260 1.00 0.00 C ATOM 329 CD1 PHE A 22 -6.187 4.447 4.954 1.00 0.00 C ATOM 330 CD2 PHE A 22 -3.985 5.129 5.570 1.00 0.00 C ATOM 331 CE1 PHE A 22 -6.601 5.768 4.959 1.00 0.00 C ATOM 332 CE2 PHE A 22 -4.394 6.452 5.574 1.00 0.00 C ATOM 333 CZ PHE A 22 -5.704 6.771 5.268 1.00 0.00 C ATOM 0 H PHE A 22 -6.194 0.964 3.862 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.964 2.776 3.156 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.104 2.084 5.879 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.440 2.596 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.894 3.668 4.708 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.960 4.886 5.811 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.625 6.014 4.721 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.690 7.234 5.816 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.025 7.802 5.271 1.00 0.00 H new ATOM 343 N HIS A 23 -2.283 0.963 3.505 1.00 0.00 N ATOM 344 CA HIS A 23 -1.353 -0.159 3.422 1.00 0.00 C ATOM 345 C HIS A 23 -0.048 0.154 4.151 1.00 0.00 C ATOM 346 O HIS A 23 0.320 1.313 4.300 1.00 0.00 O ATOM 347 CB HIS A 23 -1.063 -0.472 1.953 1.00 0.00 C ATOM 348 CG HIS A 23 -2.287 -0.474 1.097 1.00 0.00 C ATOM 349 ND1 HIS A 23 -2.793 -1.609 0.499 1.00 0.00 N ATOM 350 CD2 HIS A 23 -3.111 0.537 0.741 1.00 0.00 C ATOM 351 CE1 HIS A 23 -3.876 -1.295 -0.188 1.00 0.00 C ATOM 352 NE2 HIS A 23 -4.091 0.001 -0.057 1.00 0.00 N ATOM 0 H HIS A 23 -1.865 1.870 3.297 1.00 0.00 H new ATOM 0 HA HIS A 23 -1.811 -1.024 3.901 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -0.358 0.263 1.565 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.579 -1.446 1.885 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.016 1.573 1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.483 -1.982 -0.760 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -4.860 0.520 -0.480 1.00 0.00 H new ATOM 361 N LYS A 24 0.655 -0.884 4.593 1.00 0.00 N ATOM 362 CA LYS A 24 1.926 -0.705 5.291 1.00 0.00 C ATOM 363 C LYS A 24 3.089 -1.016 4.353 1.00 0.00 C ATOM 364 O LYS A 24 2.956 -1.847 3.455 1.00 0.00 O ATOM 365 CB LYS A 24 1.990 -1.609 6.526 1.00 0.00 C ATOM 366 CG LYS A 24 1.816 -0.861 7.838 1.00 0.00 C ATOM 367 CD LYS A 24 0.347 -0.693 8.194 1.00 0.00 C ATOM 368 CE LYS A 24 0.106 0.585 8.979 1.00 0.00 C ATOM 369 NZ LYS A 24 0.810 0.573 10.292 1.00 0.00 N ATOM 0 H LYS A 24 0.368 -1.856 4.481 1.00 0.00 H new ATOM 0 HA LYS A 24 2.001 0.333 5.615 1.00 0.00 H new ATOM 0 HB2 LYS A 24 1.216 -2.373 6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.949 -2.127 6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.325 -1.401 8.636 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.288 0.119 7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.250 -0.679 7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 24 0.014 -1.549 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.445 1.440 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.964 0.714 9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.552 1.424 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 0.532 -0.274 10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.838 0.561 10.135 1.00 0.00 H new ATOM 383 N PHE A 25 4.230 -0.354 4.554 1.00 0.00 N ATOM 384 CA PHE A 25 5.387 -0.594 3.702 1.00 0.00 C ATOM 385 C PHE A 25 5.702 -2.085 3.668 1.00 0.00 C ATOM 386 O PHE A 25 5.987 -2.699 4.696 1.00 0.00 O ATOM 387 CB PHE A 25 6.593 0.233 4.150 1.00 0.00 C ATOM 388 CG PHE A 25 6.897 1.349 3.185 1.00 0.00 C ATOM 389 CD1 PHE A 25 6.285 2.585 3.323 1.00 0.00 C ATOM 390 CD2 PHE A 25 7.769 1.154 2.124 1.00 0.00 C ATOM 391 CE1 PHE A 25 6.536 3.606 2.421 1.00 0.00 C ATOM 392 CE2 PHE A 25 8.029 2.171 1.222 1.00 0.00 C ATOM 393 CZ PHE A 25 7.410 3.398 1.369 1.00 0.00 C ATOM 0 H PHE A 25 4.373 0.340 5.287 1.00 0.00 H new ATOM 0 HA PHE A 25 5.149 -0.271 2.689 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.401 0.650 5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.464 -0.415 4.242 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.604 2.754 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 25 8.251 0.196 2.000 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.050 4.563 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.715 2.006 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.608 4.192 0.664 1.00 0.00 H new ATOM 403 N PRO A 26 5.592 -2.692 2.476 1.00 0.00 N ATOM 404 CA PRO A 26 5.800 -4.127 2.285 1.00 0.00 C ATOM 405 C PRO A 26 7.250 -4.514 2.020 1.00 0.00 C ATOM 406 O PRO A 26 8.057 -3.697 1.579 1.00 0.00 O ATOM 407 CB PRO A 26 4.942 -4.378 1.052 1.00 0.00 C ATOM 408 CG PRO A 26 5.172 -3.169 0.227 1.00 0.00 C ATOM 409 CD PRO A 26 5.200 -2.033 1.210 1.00 0.00 C ATOM 0 HA PRO A 26 5.545 -4.710 3.170 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.244 -5.286 0.529 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.890 -4.495 1.311 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.110 -3.239 -0.324 1.00 0.00 H new ATOM 0 HG3 PRO A 26 4.379 -3.036 -0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 26 5.916 -1.265 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.227 -1.548 1.293 1.00 0.00 H new ATOM 417 N LEU A 27 7.564 -5.781 2.288 1.00 0.00 N ATOM 418 CA LEU A 27 8.902 -6.307 2.080 1.00 0.00 C ATOM 419 C LEU A 27 8.930 -7.266 0.891 1.00 0.00 C ATOM 420 O LEU A 27 9.986 -7.509 0.306 1.00 0.00 O ATOM 421 CB LEU A 27 9.395 -7.023 3.342 1.00 0.00 C ATOM 422 CG LEU A 27 9.450 -6.155 4.601 1.00 0.00 C ATOM 423 CD1 LEU A 27 9.161 -6.993 5.837 1.00 0.00 C ATOM 424 CD2 LEU A 27 10.806 -5.475 4.721 1.00 0.00 C ATOM 0 H LEU A 27 6.899 -6.463 2.653 1.00 0.00 H new ATOM 0 HA LEU A 27 9.566 -5.470 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.744 -7.875 3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.392 -7.420 3.150 1.00 0.00 H new ATOM 0 HG LEU A 27 8.685 -5.383 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.204 -6.360 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.168 -7.434 5.754 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.904 -7.786 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.827 -4.862 5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.589 -6.232 4.778 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.975 -4.844 3.849 1.00 0.00 H new ATOM 436 N THR A 28 7.764 -7.802 0.532 1.00 0.00 N ATOM 437 CA THR A 28 7.661 -8.723 -0.593 1.00 0.00 C ATOM 438 C THR A 28 8.033 -8.007 -1.884 1.00 0.00 C ATOM 439 O THR A 28 8.590 -8.602 -2.805 1.00 0.00 O ATOM 440 CB THR A 28 6.243 -9.294 -0.692 1.00 0.00 C ATOM 441 OG1 THR A 28 5.431 -8.804 0.360 1.00 0.00 O ATOM 442 CG2 THR A 28 6.201 -10.806 -0.637 1.00 0.00 C ATOM 0 H THR A 28 6.880 -7.613 1.005 1.00 0.00 H new ATOM 0 HA THR A 28 8.353 -9.550 -0.433 1.00 0.00 H new ATOM 0 HB THR A 28 5.869 -8.971 -1.664 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.529 -9.178 0.279 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.168 -11.144 -0.712 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.778 -11.216 -1.465 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.627 -11.148 0.306 1.00 0.00 H new ATOM 450 N ARG A 29 7.719 -6.718 -1.928 1.00 0.00 N ATOM 451 CA ARG A 29 8.008 -5.878 -3.070 1.00 0.00 C ATOM 452 C ARG A 29 9.154 -4.929 -2.719 1.00 0.00 C ATOM 453 O ARG A 29 8.925 -3.900 -2.096 1.00 0.00 O ATOM 454 CB ARG A 29 6.740 -5.105 -3.424 1.00 0.00 C ATOM 455 CG ARG A 29 6.901 -4.178 -4.609 1.00 0.00 C ATOM 456 CD ARG A 29 6.811 -2.728 -4.173 1.00 0.00 C ATOM 457 NE ARG A 29 5.477 -2.169 -4.416 1.00 0.00 N ATOM 458 CZ ARG A 29 5.226 -0.984 -4.998 1.00 0.00 C ATOM 459 NH1 ARG A 29 6.208 -0.143 -5.343 1.00 0.00 N ATOM 460 NH2 ARG A 29 3.973 -0.634 -5.219 1.00 0.00 N ATOM 0 H ARG A 29 7.253 -6.228 -1.164 1.00 0.00 H new ATOM 0 HA ARG A 29 8.314 -6.475 -3.929 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.940 -5.815 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.428 -4.522 -2.558 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.862 -4.359 -5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.129 -4.389 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.050 -2.652 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.555 -2.140 -4.710 1.00 0.00 H new ATOM 0 HE ARG A 29 4.675 -2.725 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.181 -0.394 -5.166 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.984 0.749 -5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.214 -1.259 -4.949 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.764 0.262 -5.660 1.00 0.00 H new ATOM 474 N PRO A 30 10.412 -5.297 -3.069 1.00 0.00 N ATOM 475 CA PRO A 30 11.604 -4.503 -2.751 1.00 0.00 C ATOM 476 C PRO A 30 12.056 -3.529 -3.846 1.00 0.00 C ATOM 477 O PRO A 30 11.930 -2.319 -3.687 1.00 0.00 O ATOM 478 CB PRO A 30 12.643 -5.579 -2.529 1.00 0.00 C ATOM 479 CG PRO A 30 12.251 -6.711 -3.434 1.00 0.00 C ATOM 480 CD PRO A 30 10.781 -6.544 -3.760 1.00 0.00 C ATOM 0 HA PRO A 30 11.422 -3.838 -1.907 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.642 -5.214 -2.767 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.660 -5.898 -1.487 1.00 0.00 H new ATOM 0 HG2 PRO A 30 12.850 -6.699 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 30 12.430 -7.670 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 30 10.615 -6.471 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.193 -7.389 -3.403 1.00 0.00 H new ATOM 488 N SER A 31 12.593 -4.041 -4.955 1.00 0.00 N ATOM 489 CA SER A 31 13.052 -3.168 -6.038 1.00 0.00 C ATOM 490 C SER A 31 11.962 -2.179 -6.393 1.00 0.00 C ATOM 491 O SER A 31 12.160 -0.963 -6.370 1.00 0.00 O ATOM 492 CB SER A 31 13.444 -3.993 -7.265 1.00 0.00 C ATOM 493 OG SER A 31 12.299 -4.399 -7.994 1.00 0.00 O ATOM 0 H SER A 31 12.720 -5.038 -5.126 1.00 0.00 H new ATOM 0 HA SER A 31 13.933 -2.622 -5.701 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.099 -3.405 -7.908 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.009 -4.871 -6.951 1.00 0.00 H new ATOM 0 HG SER A 31 12.577 -4.923 -8.774 1.00 0.00 H new ATOM 499 N LEU A 32 10.795 -2.724 -6.662 1.00 0.00 N ATOM 500 CA LEU A 32 9.624 -1.930 -6.968 1.00 0.00 C ATOM 501 C LEU A 32 9.350 -0.997 -5.793 1.00 0.00 C ATOM 502 O LEU A 32 8.908 0.137 -5.959 1.00 0.00 O ATOM 503 CB LEU A 32 8.445 -2.865 -7.190 1.00 0.00 C ATOM 504 CG LEU A 32 7.091 -2.198 -7.447 1.00 0.00 C ATOM 505 CD1 LEU A 32 7.251 -0.856 -8.140 1.00 0.00 C ATOM 506 CD2 LEU A 32 6.211 -3.110 -8.277 1.00 0.00 C ATOM 0 H LEU A 32 10.631 -3.731 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 32 9.781 -1.336 -7.868 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.675 -3.511 -8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.349 -3.509 -6.316 1.00 0.00 H new ATOM 0 HG LEU A 32 6.619 -2.020 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.269 -0.413 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.848 -0.192 -7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.751 -0.999 -9.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.250 -2.626 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.696 -3.314 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.052 -4.047 -7.743 1.00 0.00 H new ATOM 518 N CYS A 33 9.630 -1.504 -4.588 1.00 0.00 N ATOM 519 CA CYS A 33 9.430 -0.747 -3.354 1.00 0.00 C ATOM 520 C CYS A 33 10.090 0.618 -3.435 1.00 0.00 C ATOM 521 O CYS A 33 9.602 1.590 -2.865 1.00 0.00 O ATOM 522 CB CYS A 33 10.007 -1.508 -2.171 1.00 0.00 C ATOM 523 SG CYS A 33 9.205 -1.139 -0.593 1.00 0.00 S ATOM 0 H CYS A 33 9.999 -2.444 -4.444 1.00 0.00 H new ATOM 0 HA CYS A 33 8.357 -0.612 -3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 33 9.926 -2.577 -2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 33 11.069 -1.279 -2.089 1.00 0.00 H new ATOM 0 HG CYS A 33 8.921 -2.250 0.020 1.00 0.00 H new ATOM 529 N LYS A 34 11.197 0.692 -4.163 1.00 0.00 N ATOM 530 CA LYS A 34 11.901 1.947 -4.333 1.00 0.00 C ATOM 531 C LYS A 34 10.897 2.987 -4.803 1.00 0.00 C ATOM 532 O LYS A 34 10.931 4.148 -4.399 1.00 0.00 O ATOM 533 CB LYS A 34 13.047 1.770 -5.349 1.00 0.00 C ATOM 534 CG LYS A 34 13.622 3.077 -5.885 1.00 0.00 C ATOM 535 CD LYS A 34 13.940 2.979 -7.371 1.00 0.00 C ATOM 536 CE LYS A 34 12.693 2.711 -8.201 1.00 0.00 C ATOM 537 NZ LYS A 34 12.220 3.937 -8.902 1.00 0.00 N ATOM 0 H LYS A 34 11.622 -0.102 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 34 12.346 2.275 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.849 1.201 -4.878 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.684 1.176 -6.188 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.910 3.885 -5.717 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.528 3.330 -5.334 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.406 3.906 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.664 2.181 -7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.905 1.932 -8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.901 2.333 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.369 3.713 -9.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.994 4.672 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.967 4.283 -9.538 1.00 0.00 H new ATOM 551 N GLU A 35 9.974 2.526 -5.637 1.00 0.00 N ATOM 552 CA GLU A 35 8.923 3.359 -6.164 1.00 0.00 C ATOM 553 C GLU A 35 8.114 3.954 -5.032 1.00 0.00 C ATOM 554 O GLU A 35 7.740 5.128 -5.055 1.00 0.00 O ATOM 555 CB GLU A 35 8.013 2.530 -7.068 1.00 0.00 C ATOM 556 CG GLU A 35 8.760 1.905 -8.213 1.00 0.00 C ATOM 557 CD GLU A 35 7.884 1.662 -9.426 1.00 0.00 C ATOM 558 OE1 GLU A 35 6.890 2.399 -9.595 1.00 0.00 O ATOM 559 OE2 GLU A 35 8.196 0.742 -10.210 1.00 0.00 O ATOM 0 H GLU A 35 9.941 1.560 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 35 9.369 4.167 -6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.535 1.747 -6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.218 3.165 -7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.591 2.552 -8.495 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.190 0.958 -7.886 1.00 0.00 H new ATOM 566 N TRP A 36 7.873 3.126 -4.031 1.00 0.00 N ATOM 567 CA TRP A 36 7.119 3.550 -2.859 1.00 0.00 C ATOM 568 C TRP A 36 7.804 4.727 -2.198 1.00 0.00 C ATOM 569 O TRP A 36 7.145 5.607 -1.642 1.00 0.00 O ATOM 570 CB TRP A 36 6.922 2.406 -1.891 1.00 0.00 C ATOM 571 CG TRP A 36 5.617 1.703 -2.059 1.00 0.00 C ATOM 572 CD1 TRP A 36 4.998 1.353 -3.221 1.00 0.00 C ATOM 573 CD2 TRP A 36 4.762 1.280 -1.006 1.00 0.00 C ATOM 574 NE1 TRP A 36 3.811 0.712 -2.945 1.00 0.00 N ATOM 575 CE2 TRP A 36 3.651 0.655 -1.581 1.00 0.00 C ATOM 576 CE3 TRP A 36 4.838 1.363 0.374 1.00 0.00 C ATOM 577 CZ2 TRP A 36 2.627 0.115 -0.797 1.00 0.00 C ATOM 578 CZ3 TRP A 36 3.821 0.835 1.122 1.00 0.00 C ATOM 579 CH2 TRP A 36 2.743 0.222 0.545 1.00 0.00 C ATOM 0 H TRP A 36 8.187 2.156 -4.004 1.00 0.00 H new ATOM 0 HA TRP A 36 6.128 3.869 -3.181 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.732 1.688 -2.020 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.992 2.786 -0.872 1.00 0.00 H new ATOM 0 HD1 TRP A 36 5.381 1.549 -4.211 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.160 0.342 -3.637 1.00 0.00 H new ATOM 0 HE3 TRP A 36 5.684 1.836 0.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.774 -0.370 -1.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 3.871 0.904 2.199 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.967 -0.186 1.176 1.00 0.00 H new ATOM 590 N GLU A 37 9.128 4.774 -2.297 1.00 0.00 N ATOM 591 CA GLU A 37 9.873 5.890 -1.734 1.00 0.00 C ATOM 592 C GLU A 37 9.351 7.190 -2.315 1.00 0.00 C ATOM 593 O GLU A 37 9.216 8.196 -1.617 1.00 0.00 O ATOM 594 CB GLU A 37 11.354 5.738 -2.051 1.00 0.00 C ATOM 595 CG GLU A 37 11.947 4.435 -1.548 1.00 0.00 C ATOM 596 CD GLU A 37 13.278 4.626 -0.848 1.00 0.00 C ATOM 597 OE1 GLU A 37 13.381 5.548 -0.012 1.00 0.00 O ATOM 598 OE2 GLU A 37 14.216 3.854 -1.136 1.00 0.00 O ATOM 0 H GLU A 37 9.699 4.063 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 37 9.744 5.901 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.495 5.800 -3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.900 6.572 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.245 3.963 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.078 3.753 -2.388 1.00 0.00 H new ATOM 605 N ALA A 38 9.031 7.143 -3.599 1.00 0.00 N ATOM 606 CA ALA A 38 8.491 8.302 -4.293 1.00 0.00 C ATOM 607 C ALA A 38 7.171 8.705 -3.660 1.00 0.00 C ATOM 608 O ALA A 38 6.839 9.885 -3.567 1.00 0.00 O ATOM 609 CB ALA A 38 8.309 8.005 -5.774 1.00 0.00 C ATOM 0 H ALA A 38 9.136 6.313 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 38 9.195 9.129 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.904 8.885 -6.274 1.00 0.00 H new ATOM 0 HB2 ALA A 38 9.272 7.748 -6.215 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.620 7.169 -5.895 1.00 0.00 H new ATOM 615 N ALA A 39 6.441 7.700 -3.199 1.00 0.00 N ATOM 616 CA ALA A 39 5.164 7.912 -2.538 1.00 0.00 C ATOM 617 C ALA A 39 5.328 8.876 -1.373 1.00 0.00 C ATOM 618 O ALA A 39 4.383 9.556 -0.971 1.00 0.00 O ATOM 619 CB ALA A 39 4.611 6.583 -2.042 1.00 0.00 C ATOM 0 H ALA A 39 6.716 6.721 -3.272 1.00 0.00 H new ATOM 0 HA ALA A 39 4.464 8.344 -3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.654 6.749 -1.548 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.471 5.909 -2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.312 6.138 -1.336 1.00 0.00 H new ATOM 625 N VAL A 40 6.537 8.910 -0.823 1.00 0.00 N ATOM 626 CA VAL A 40 6.839 9.764 0.307 1.00 0.00 C ATOM 627 C VAL A 40 7.570 11.034 -0.127 1.00 0.00 C ATOM 628 O VAL A 40 7.055 12.141 0.039 1.00 0.00 O ATOM 629 CB VAL A 40 7.696 8.994 1.336 1.00 0.00 C ATOM 630 CG1 VAL A 40 8.056 9.858 2.534 1.00 0.00 C ATOM 631 CG2 VAL A 40 6.978 7.728 1.780 1.00 0.00 C ATOM 0 H VAL A 40 7.325 8.350 -1.148 1.00 0.00 H new ATOM 0 HA VAL A 40 5.894 10.059 0.763 1.00 0.00 H new ATOM 0 HB VAL A 40 8.630 8.716 0.847 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.659 9.278 3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.624 10.726 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.144 10.190 3.030 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.594 7.196 2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.025 7.992 2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.800 7.088 0.916 1.00 0.00 H new ATOM 641 N ARG A 41 8.771 10.868 -0.676 1.00 0.00 N ATOM 642 CA ARG A 41 9.577 12.001 -1.133 1.00 0.00 C ATOM 643 C ARG A 41 10.048 12.862 0.045 1.00 0.00 C ATOM 644 O ARG A 41 10.590 13.950 -0.148 1.00 0.00 O ATOM 645 CB ARG A 41 8.774 12.861 -2.126 1.00 0.00 C ATOM 646 CG ARG A 41 9.508 14.105 -2.616 1.00 0.00 C ATOM 647 CD ARG A 41 8.972 15.367 -1.959 1.00 0.00 C ATOM 648 NE ARG A 41 8.852 16.471 -2.907 1.00 0.00 N ATOM 649 CZ ARG A 41 7.885 16.564 -3.818 1.00 0.00 C ATOM 650 NH1 ARG A 41 6.952 15.624 -3.905 1.00 0.00 N ATOM 651 NH2 ARG A 41 7.850 17.602 -4.643 1.00 0.00 N ATOM 0 H ARG A 41 9.210 9.958 -0.816 1.00 0.00 H new ATOM 0 HA ARG A 41 10.459 11.602 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.508 12.248 -2.987 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.841 13.167 -1.652 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.573 14.007 -2.403 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.405 14.186 -3.698 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.997 15.160 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.634 15.660 -1.144 1.00 0.00 H new ATOM 0 HE ARG A 41 9.549 17.214 -2.869 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.973 14.825 -3.272 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.214 15.701 -4.605 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.563 18.328 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.110 17.674 -5.341 1.00 0.00 H new ATOM 665 N ARG A 42 9.837 12.373 1.265 1.00 0.00 N ATOM 666 CA ARG A 42 10.235 13.098 2.464 1.00 0.00 C ATOM 667 C ARG A 42 11.687 12.797 2.829 1.00 0.00 C ATOM 668 O ARG A 42 12.295 11.881 2.274 1.00 0.00 O ATOM 669 CB ARG A 42 9.308 12.713 3.619 1.00 0.00 C ATOM 670 CG ARG A 42 9.466 13.577 4.865 1.00 0.00 C ATOM 671 CD ARG A 42 9.269 15.056 4.566 1.00 0.00 C ATOM 672 NE ARG A 42 10.172 15.898 5.350 1.00 0.00 N ATOM 673 CZ ARG A 42 10.544 17.126 4.991 1.00 0.00 C ATOM 674 NH1 ARG A 42 10.095 17.662 3.863 1.00 0.00 N ATOM 675 NH2 ARG A 42 11.368 17.822 5.763 1.00 0.00 N ATOM 0 H ARG A 42 9.391 11.474 1.447 1.00 0.00 H new ATOM 0 HA ARG A 42 10.154 14.168 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.275 12.775 3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.493 11.673 3.887 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.745 13.261 5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 42 10.458 13.423 5.289 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.435 15.237 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.237 15.335 4.779 1.00 0.00 H new ATOM 0 HE ARG A 42 10.539 15.522 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.461 17.133 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.384 18.603 3.595 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.717 17.417 6.632 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.653 18.762 5.488 1.00 0.00 H new ATOM 689 N LYS A 43 12.232 13.575 3.769 1.00 0.00 N ATOM 690 CA LYS A 43 13.612 13.409 4.228 1.00 0.00 C ATOM 691 C LYS A 43 14.050 11.943 4.204 1.00 0.00 C ATOM 692 O LYS A 43 15.005 11.587 3.515 1.00 0.00 O ATOM 693 CB LYS A 43 13.754 13.969 5.645 1.00 0.00 C ATOM 694 CG LYS A 43 15.168 13.893 6.199 1.00 0.00 C ATOM 695 CD LYS A 43 15.333 14.781 7.421 1.00 0.00 C ATOM 696 CE LYS A 43 15.018 14.029 8.705 1.00 0.00 C ATOM 697 NZ LYS A 43 16.049 13.002 9.015 1.00 0.00 N ATOM 0 H LYS A 43 11.731 14.334 4.231 1.00 0.00 H new ATOM 0 HA LYS A 43 14.259 13.958 3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.429 15.009 5.648 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.084 13.423 6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 43 15.402 12.862 6.463 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.879 14.195 5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.354 15.160 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.676 15.646 7.334 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.950 14.736 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.044 13.549 8.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.011 12.767 10.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.866 12.146 8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.991 13.374 8.781 1.00 0.00 H new ATOM 711 N ASN A 44 13.343 11.102 4.955 1.00 0.00 N ATOM 712 CA ASN A 44 13.663 9.678 5.011 1.00 0.00 C ATOM 713 C ASN A 44 12.513 8.872 5.626 1.00 0.00 C ATOM 714 O ASN A 44 12.587 8.487 6.792 1.00 0.00 O ATOM 715 CB ASN A 44 14.937 9.452 5.827 1.00 0.00 C ATOM 716 CG ASN A 44 16.196 9.673 5.011 1.00 0.00 C ATOM 717 OD1 ASN A 44 16.216 9.435 3.804 1.00 0.00 O ATOM 718 ND2 ASN A 44 17.256 10.129 5.669 1.00 0.00 N ATOM 0 H ASN A 44 12.548 11.380 5.531 1.00 0.00 H new ATOM 0 HA ASN A 44 13.819 9.334 3.988 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.940 10.126 6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.937 8.436 6.221 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.132 10.295 5.173 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.194 10.313 6.670 1.00 0.00 H new ATOM 725 N PHE A 45 11.460 8.616 4.833 1.00 0.00 N ATOM 726 CA PHE A 45 10.290 7.848 5.281 1.00 0.00 C ATOM 727 C PHE A 45 10.638 6.837 6.375 1.00 0.00 C ATOM 728 O PHE A 45 10.927 5.673 6.098 1.00 0.00 O ATOM 729 CB PHE A 45 9.657 7.114 4.085 1.00 0.00 C ATOM 730 CG PHE A 45 10.560 6.092 3.430 1.00 0.00 C ATOM 731 CD1 PHE A 45 11.929 6.068 3.681 1.00 0.00 C ATOM 732 CD2 PHE A 45 10.036 5.154 2.553 1.00 0.00 C ATOM 733 CE1 PHE A 45 12.745 5.134 3.076 1.00 0.00 C ATOM 734 CE2 PHE A 45 10.850 4.216 1.945 1.00 0.00 C ATOM 735 CZ PHE A 45 12.206 4.207 2.207 1.00 0.00 C ATOM 0 H PHE A 45 11.397 8.935 3.866 1.00 0.00 H new ATOM 0 HA PHE A 45 9.581 8.560 5.705 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.748 6.615 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 45 9.360 7.850 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 45 12.359 6.791 4.359 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.977 5.156 2.342 1.00 0.00 H new ATOM 0 HE1 PHE A 45 13.805 5.128 3.282 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.426 3.491 1.266 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.844 3.476 1.733 1.00 0.00 H new ATOM 745 N LYS A 46 10.609 7.297 7.618 1.00 0.00 N ATOM 746 CA LYS A 46 10.925 6.440 8.756 1.00 0.00 C ATOM 747 C LYS A 46 9.813 5.415 9.003 1.00 0.00 C ATOM 748 O LYS A 46 8.690 5.777 9.353 1.00 0.00 O ATOM 749 CB LYS A 46 11.147 7.290 10.012 1.00 0.00 C ATOM 750 CG LYS A 46 11.663 6.508 11.215 1.00 0.00 C ATOM 751 CD LYS A 46 12.050 7.439 12.352 1.00 0.00 C ATOM 752 CE LYS A 46 13.414 8.067 12.118 1.00 0.00 C ATOM 753 NZ LYS A 46 14.429 7.056 11.708 1.00 0.00 N ATOM 0 H LYS A 46 10.370 8.257 7.866 1.00 0.00 H new ATOM 0 HA LYS A 46 11.841 5.897 8.525 1.00 0.00 H new ATOM 0 HB2 LYS A 46 11.856 8.084 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.207 7.771 10.282 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.896 5.813 11.556 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.526 5.911 10.921 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.300 8.223 12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.060 6.885 13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.333 8.833 11.347 1.00 0.00 H new ATOM 0 HE3 LYS A 46 13.745 8.565 13.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 15.379 7.395 11.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.241 6.157 12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.377 6.909 10.680 1.00 0.00 H new ATOM 767 N PRO A 47 10.113 4.115 8.807 1.00 0.00 N ATOM 768 CA PRO A 47 9.148 3.011 8.988 1.00 0.00 C ATOM 769 C PRO A 47 8.456 2.975 10.356 1.00 0.00 C ATOM 770 O PRO A 47 7.640 2.091 10.617 1.00 0.00 O ATOM 771 CB PRO A 47 10.019 1.771 8.812 1.00 0.00 C ATOM 772 CG PRO A 47 11.039 2.228 7.857 1.00 0.00 C ATOM 773 CD PRO A 47 11.420 3.596 8.362 1.00 0.00 C ATOM 0 HA PRO A 47 8.319 3.107 8.286 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.462 1.449 9.755 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.449 0.927 8.423 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.897 1.556 7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.645 2.272 6.842 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.142 3.547 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.863 4.214 7.581 1.00 0.00 H new ATOM 781 N THR A 48 8.786 3.917 11.230 1.00 0.00 N ATOM 782 CA THR A 48 8.194 3.959 12.566 1.00 0.00 C ATOM 783 C THR A 48 6.676 4.097 12.478 1.00 0.00 C ATOM 784 O THR A 48 5.938 3.219 12.923 1.00 0.00 O ATOM 785 CB THR A 48 8.788 5.124 13.374 1.00 0.00 C ATOM 786 OG1 THR A 48 8.085 5.301 14.590 1.00 0.00 O ATOM 787 CG2 THR A 48 8.756 6.442 12.631 1.00 0.00 C ATOM 0 H THR A 48 9.458 4.661 11.041 1.00 0.00 H new ATOM 0 HA THR A 48 8.426 3.023 13.075 1.00 0.00 H new ATOM 0 HB THR A 48 9.827 4.850 13.555 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.479 6.046 15.090 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.190 7.223 13.256 1.00 0.00 H new ATOM 0 HG22 THR A 48 9.331 6.354 11.709 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.724 6.700 12.392 1.00 0.00 H new ATOM 795 N LYS A 49 6.218 5.192 11.885 1.00 0.00 N ATOM 796 CA LYS A 49 4.792 5.434 11.719 1.00 0.00 C ATOM 797 C LYS A 49 4.475 5.766 10.260 1.00 0.00 C ATOM 798 O LYS A 49 3.316 5.739 9.849 1.00 0.00 O ATOM 799 CB LYS A 49 4.311 6.560 12.644 1.00 0.00 C ATOM 800 CG LYS A 49 5.297 7.713 12.800 1.00 0.00 C ATOM 801 CD LYS A 49 5.764 7.870 14.248 1.00 0.00 C ATOM 802 CE LYS A 49 4.732 8.569 15.134 1.00 0.00 C ATOM 803 NZ LYS A 49 4.904 8.205 16.568 1.00 0.00 N ATOM 0 H LYS A 49 6.816 5.928 11.510 1.00 0.00 H new ATOM 0 HA LYS A 49 4.260 4.524 11.994 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.370 6.953 12.259 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.103 6.141 13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.160 7.543 12.156 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.829 8.639 12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.984 6.886 14.662 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.694 8.438 14.265 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.824 9.649 15.019 1.00 0.00 H new ATOM 0 HE3 LYS A 49 3.728 8.298 14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.188 8.697 17.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.791 7.177 16.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.853 8.486 16.886 1.00 0.00 H new ATOM 817 N TYR A 50 5.513 6.086 9.482 1.00 0.00 N ATOM 818 CA TYR A 50 5.339 6.425 8.080 1.00 0.00 C ATOM 819 C TYR A 50 5.294 5.184 7.184 1.00 0.00 C ATOM 820 O TYR A 50 4.793 5.259 6.064 1.00 0.00 O ATOM 821 CB TYR A 50 6.455 7.363 7.619 1.00 0.00 C ATOM 822 CG TYR A 50 6.380 8.736 8.247 1.00 0.00 C ATOM 823 CD1 TYR A 50 5.167 9.407 8.347 1.00 0.00 C ATOM 824 CD2 TYR A 50 7.518 9.362 8.740 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.092 10.662 8.921 1.00 0.00 C ATOM 826 CE2 TYR A 50 7.451 10.616 9.315 1.00 0.00 C ATOM 827 CZ TYR A 50 6.235 11.262 9.402 1.00 0.00 C ATOM 828 OH TYR A 50 6.164 12.512 9.972 1.00 0.00 O ATOM 0 H TYR A 50 6.480 6.115 9.806 1.00 0.00 H new ATOM 0 HA TYR A 50 4.377 6.930 7.988 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.419 6.914 7.858 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.410 7.464 6.535 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.269 8.940 7.970 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.472 8.859 8.672 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.142 11.170 8.992 1.00 0.00 H new ATOM 0 HE2 TYR A 50 8.345 11.088 9.694 1.00 0.00 H new ATOM 0 HH TYR A 50 7.058 12.791 10.261 1.00 0.00 H new ATOM 838 N SER A 51 5.828 4.052 7.662 1.00 0.00 N ATOM 839 CA SER A 51 5.836 2.818 6.869 1.00 0.00 C ATOM 840 C SER A 51 4.421 2.383 6.465 1.00 0.00 C ATOM 841 O SER A 51 3.927 1.348 6.913 1.00 0.00 O ATOM 842 CB SER A 51 6.524 1.691 7.648 1.00 0.00 C ATOM 843 OG SER A 51 7.717 1.280 7.001 1.00 0.00 O ATOM 0 H SER A 51 6.256 3.966 8.584 1.00 0.00 H new ATOM 0 HA SER A 51 6.393 3.024 5.955 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.752 2.030 8.659 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.846 0.843 7.742 1.00 0.00 H new ATOM 0 HG SER A 51 7.855 0.321 7.148 1.00 0.00 H new ATOM 849 N SER A 52 3.781 3.169 5.604 1.00 0.00 N ATOM 850 CA SER A 52 2.437 2.861 5.123 1.00 0.00 C ATOM 851 C SER A 52 2.004 3.880 4.085 1.00 0.00 C ATOM 852 O SER A 52 2.487 5.008 4.070 1.00 0.00 O ATOM 853 CB SER A 52 1.435 2.834 6.277 1.00 0.00 C ATOM 854 OG SER A 52 1.506 4.024 7.045 1.00 0.00 O ATOM 0 H SER A 52 4.174 4.029 5.223 1.00 0.00 H new ATOM 0 HA SER A 52 2.460 1.872 4.665 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.426 2.712 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.635 1.973 6.915 1.00 0.00 H new ATOM 0 HG SER A 52 0.854 3.981 7.775 1.00 0.00 H new ATOM 860 N ILE A 53 1.102 3.476 3.209 1.00 0.00 N ATOM 861 CA ILE A 53 0.622 4.351 2.163 1.00 0.00 C ATOM 862 C ILE A 53 -0.895 4.254 2.073 1.00 0.00 C ATOM 863 O ILE A 53 -1.476 3.242 2.464 1.00 0.00 O ATOM 864 CB ILE A 53 1.239 3.924 0.816 1.00 0.00 C ATOM 865 CG1 ILE A 53 2.758 3.689 0.947 1.00 0.00 C ATOM 866 CG2 ILE A 53 0.928 4.919 -0.306 1.00 0.00 C ATOM 867 CD1 ILE A 53 3.604 4.942 0.990 1.00 0.00 C ATOM 0 H ILE A 53 0.688 2.544 3.204 1.00 0.00 H new ATOM 0 HA ILE A 53 0.909 5.378 2.390 1.00 0.00 H new ATOM 0 HB ILE A 53 0.773 2.978 0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.943 3.114 1.854 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.088 3.076 0.108 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.384 4.575 -1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.151 4.993 -0.438 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.330 5.898 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.655 4.668 1.083 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.457 5.512 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.310 5.550 1.846 1.00 0.00 H new ATOM 879 N CYS A 54 -1.544 5.293 1.559 1.00 0.00 N ATOM 880 CA CYS A 54 -2.992 5.273 1.435 1.00 0.00 C ATOM 881 C CYS A 54 -3.389 5.160 -0.047 1.00 0.00 C ATOM 882 O CYS A 54 -2.601 5.506 -0.927 1.00 0.00 O ATOM 883 CB CYS A 54 -3.595 6.493 2.138 1.00 0.00 C ATOM 884 SG CYS A 54 -3.791 7.961 1.116 1.00 0.00 S ATOM 0 H CYS A 54 -1.096 6.147 1.227 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.402 4.395 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.571 6.215 2.535 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.965 6.747 2.990 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.622 8.391 0.745 1.00 0.00 H new ATOM 889 N SER A 55 -4.579 4.618 -0.324 1.00 0.00 N ATOM 890 CA SER A 55 -5.022 4.400 -1.704 1.00 0.00 C ATOM 891 C SER A 55 -5.031 5.672 -2.555 1.00 0.00 C ATOM 892 O SER A 55 -4.767 5.615 -3.756 1.00 0.00 O ATOM 893 CB SER A 55 -6.414 3.768 -1.720 1.00 0.00 C ATOM 894 OG SER A 55 -7.110 4.039 -0.517 1.00 0.00 O ATOM 0 H SER A 55 -5.250 4.323 0.386 1.00 0.00 H new ATOM 0 HA SER A 55 -4.291 3.726 -2.150 1.00 0.00 H new ATOM 0 HB2 SER A 55 -6.982 4.153 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.326 2.690 -1.858 1.00 0.00 H new ATOM 0 HG SER A 55 -7.843 4.664 -0.697 1.00 0.00 H new ATOM 900 N GLU A 56 -5.364 6.806 -1.949 1.00 0.00 N ATOM 901 CA GLU A 56 -5.441 8.068 -2.650 1.00 0.00 C ATOM 902 C GLU A 56 -4.314 8.272 -3.671 1.00 0.00 C ATOM 903 O GLU A 56 -4.483 9.011 -4.642 1.00 0.00 O ATOM 904 CB GLU A 56 -5.434 9.187 -1.625 1.00 0.00 C ATOM 905 CG GLU A 56 -6.551 9.073 -0.612 1.00 0.00 C ATOM 906 CD GLU A 56 -6.991 10.420 -0.074 1.00 0.00 C ATOM 907 OE1 GLU A 56 -6.201 11.383 -0.162 1.00 0.00 O ATOM 908 OE2 GLU A 56 -8.129 10.514 0.436 1.00 0.00 O ATOM 0 H GLU A 56 -5.587 6.869 -0.956 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.365 8.071 -3.227 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.477 9.187 -1.103 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.516 10.144 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.404 8.574 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.223 8.445 0.216 1.00 0.00 H new ATOM 915 N HIS A 57 -3.166 7.637 -3.448 1.00 0.00 N ATOM 916 CA HIS A 57 -2.024 7.785 -4.355 1.00 0.00 C ATOM 917 C HIS A 57 -1.915 6.611 -5.322 1.00 0.00 C ATOM 918 O HIS A 57 -1.339 6.741 -6.402 1.00 0.00 O ATOM 919 CB HIS A 57 -0.727 7.916 -3.542 1.00 0.00 C ATOM 920 CG HIS A 57 -0.894 8.773 -2.343 1.00 0.00 C ATOM 921 ND1 HIS A 57 -1.403 10.050 -2.386 1.00 0.00 N ATOM 922 CD2 HIS A 57 -0.684 8.486 -1.047 1.00 0.00 C ATOM 923 CE1 HIS A 57 -1.505 10.513 -1.148 1.00 0.00 C ATOM 924 NE2 HIS A 57 -1.076 9.577 -0.311 1.00 0.00 N ATOM 0 H HIS A 57 -2.999 7.019 -2.654 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.181 8.688 -4.945 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.394 6.925 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.056 8.332 -4.176 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -1.660 10.558 -3.232 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -0.280 7.564 -0.655 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.875 11.488 -0.868 1.00 0.00 H new ATOM 932 N PHE A 58 -2.458 5.467 -4.930 1.00 0.00 N ATOM 933 CA PHE A 58 -2.404 4.276 -5.767 1.00 0.00 C ATOM 934 C PHE A 58 -3.436 4.340 -6.892 1.00 0.00 C ATOM 935 O PHE A 58 -4.397 5.106 -6.820 1.00 0.00 O ATOM 936 CB PHE A 58 -2.648 3.030 -4.919 1.00 0.00 C ATOM 937 CG PHE A 58 -1.430 2.590 -4.174 1.00 0.00 C ATOM 938 CD1 PHE A 58 -0.413 1.919 -4.828 1.00 0.00 C ATOM 939 CD2 PHE A 58 -1.291 2.865 -2.824 1.00 0.00 C ATOM 940 CE1 PHE A 58 0.720 1.525 -4.149 1.00 0.00 C ATOM 941 CE2 PHE A 58 -0.160 2.477 -2.142 1.00 0.00 C ATOM 942 CZ PHE A 58 0.846 1.806 -2.804 1.00 0.00 C ATOM 0 H PHE A 58 -2.940 5.338 -4.040 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.412 4.227 -6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.450 3.231 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.988 2.219 -5.563 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.507 1.701 -5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.077 3.389 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.507 0.998 -4.668 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.061 2.698 -1.090 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.733 1.500 -2.270 1.00 0.00 H new ATOM 952 N THR A 59 -3.243 3.516 -7.921 1.00 0.00 N ATOM 953 CA THR A 59 -4.173 3.469 -9.046 1.00 0.00 C ATOM 954 C THR A 59 -5.298 2.478 -8.761 1.00 0.00 C ATOM 955 O THR A 59 -5.079 1.429 -8.156 1.00 0.00 O ATOM 956 CB THR A 59 -3.460 3.068 -10.346 1.00 0.00 C ATOM 957 OG1 THR A 59 -2.587 1.977 -10.120 1.00 0.00 O ATOM 958 CG2 THR A 59 -2.646 4.180 -10.988 1.00 0.00 C ATOM 0 H THR A 59 -2.454 2.874 -7.998 1.00 0.00 H new ATOM 0 HA THR A 59 -4.587 4.469 -9.172 1.00 0.00 H new ATOM 0 HB THR A 59 -4.267 2.808 -11.031 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.143 1.734 -10.959 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.178 3.808 -11.900 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.301 5.016 -11.231 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.875 4.513 -10.294 1.00 0.00 H new ATOM 966 N PRO A 60 -6.518 2.802 -9.208 1.00 0.00 N ATOM 967 CA PRO A 60 -7.695 1.946 -9.019 1.00 0.00 C ATOM 968 C PRO A 60 -7.438 0.514 -9.466 1.00 0.00 C ATOM 969 O PRO A 60 -7.915 -0.440 -8.850 1.00 0.00 O ATOM 970 CB PRO A 60 -8.739 2.597 -9.929 1.00 0.00 C ATOM 971 CG PRO A 60 -8.338 4.017 -9.986 1.00 0.00 C ATOM 972 CD PRO A 60 -6.843 4.029 -9.948 1.00 0.00 C ATOM 0 HA PRO A 60 -7.992 1.876 -7.973 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -8.741 2.144 -10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -9.745 2.484 -9.525 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.708 4.490 -10.896 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.753 4.573 -9.146 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.414 4.021 -10.950 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.460 4.917 -9.445 1.00 0.00 H new ATOM 980 N ASP A 61 -6.686 0.377 -10.551 1.00 0.00 N ATOM 981 CA ASP A 61 -6.363 -0.933 -11.105 1.00 0.00 C ATOM 982 C ASP A 61 -5.513 -1.758 -10.144 1.00 0.00 C ATOM 983 O ASP A 61 -5.496 -2.986 -10.216 1.00 0.00 O ATOM 984 CB ASP A 61 -5.634 -0.777 -12.441 1.00 0.00 C ATOM 985 CG ASP A 61 -5.425 -2.103 -13.145 1.00 0.00 C ATOM 986 OD1 ASP A 61 -4.616 -2.917 -12.652 1.00 0.00 O ATOM 987 OD2 ASP A 61 -6.072 -2.328 -14.191 1.00 0.00 O ATOM 0 H ASP A 61 -6.286 1.161 -11.067 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.302 -1.464 -11.263 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.206 -0.112 -13.088 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.667 -0.303 -12.271 1.00 0.00 H new ATOM 992 N CYS A 62 -4.805 -1.081 -9.249 1.00 0.00 N ATOM 993 CA CYS A 62 -3.950 -1.759 -8.282 1.00 0.00 C ATOM 994 C CYS A 62 -4.769 -2.355 -7.130 1.00 0.00 C ATOM 995 O CYS A 62 -4.215 -3.002 -6.242 1.00 0.00 O ATOM 996 CB CYS A 62 -2.870 -0.789 -7.763 1.00 0.00 C ATOM 997 SG CYS A 62 -2.926 -0.436 -5.985 1.00 0.00 S ATOM 0 H CYS A 62 -4.806 -0.064 -9.172 1.00 0.00 H new ATOM 0 HA CYS A 62 -3.455 -2.591 -8.782 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.890 -1.202 -8.003 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -2.961 0.152 -8.305 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.094 0.041 -5.674 1.00 0.00 H new ATOM 1003 N PHE A 63 -6.084 -2.141 -7.146 1.00 0.00 N ATOM 1004 CA PHE A 63 -6.951 -2.664 -6.099 1.00 0.00 C ATOM 1005 C PHE A 63 -7.754 -3.860 -6.603 1.00 0.00 C ATOM 1006 O PHE A 63 -8.872 -4.104 -6.150 1.00 0.00 O ATOM 1007 CB PHE A 63 -7.897 -1.563 -5.609 1.00 0.00 C ATOM 1008 CG PHE A 63 -7.193 -0.334 -5.100 1.00 0.00 C ATOM 1009 CD1 PHE A 63 -5.885 -0.398 -4.641 1.00 0.00 C ATOM 1010 CD2 PHE A 63 -7.843 0.891 -5.082 1.00 0.00 C ATOM 1011 CE1 PHE A 63 -5.241 0.732 -4.176 1.00 0.00 C ATOM 1012 CE2 PHE A 63 -7.204 2.025 -4.617 1.00 0.00 C ATOM 1013 CZ PHE A 63 -5.900 1.946 -4.165 1.00 0.00 C ATOM 0 H PHE A 63 -6.568 -1.611 -7.871 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.327 -2.998 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -8.560 -1.278 -6.426 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -8.525 -1.965 -4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.364 -1.344 -4.647 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.861 0.960 -5.436 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.223 0.666 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.723 2.972 -4.607 1.00 0.00 H new ATOM 0 HZ PHE A 63 -5.398 2.831 -3.804 1.00 0.00 H new ATOM 1164 N LEU A 72 -1.885 -4.463 -2.955 1.00 0.00 N ATOM 1165 CA LEU A 72 -0.752 -3.801 -3.581 1.00 0.00 C ATOM 1166 C LEU A 72 0.117 -4.815 -4.329 1.00 0.00 C ATOM 1167 O LEU A 72 1.319 -4.924 -4.087 1.00 0.00 O ATOM 1168 CB LEU A 72 0.073 -3.055 -2.527 1.00 0.00 C ATOM 1169 CG LEU A 72 0.905 -3.951 -1.605 1.00 0.00 C ATOM 1170 CD1 LEU A 72 2.383 -3.627 -1.732 1.00 0.00 C ATOM 1171 CD2 LEU A 72 0.445 -3.807 -0.162 1.00 0.00 C ATOM 0 HA LEU A 72 -1.127 -3.077 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 72 0.742 -2.361 -3.035 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.602 -2.457 -1.915 1.00 0.00 H new ATOM 0 HG LEU A 72 0.757 -4.987 -1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.956 -4.275 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.703 -3.787 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.552 -2.586 -1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.048 -4.451 0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.560 -2.770 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.603 -4.096 -0.084 1.00 0.00 H new ATOM 1183 N LYS A 73 -0.510 -5.554 -5.241 1.00 0.00 N ATOM 1184 CA LYS A 73 0.185 -6.566 -6.036 1.00 0.00 C ATOM 1185 C LYS A 73 1.423 -5.994 -6.720 1.00 0.00 C ATOM 1186 O LYS A 73 1.715 -4.802 -6.615 1.00 0.00 O ATOM 1187 CB LYS A 73 -0.763 -7.153 -7.084 1.00 0.00 C ATOM 1188 CG LYS A 73 -1.478 -8.409 -6.618 1.00 0.00 C ATOM 1189 CD LYS A 73 -0.682 -9.660 -6.952 1.00 0.00 C ATOM 1190 CE LYS A 73 -0.802 -10.707 -5.856 1.00 0.00 C ATOM 1191 NZ LYS A 73 0.013 -11.918 -6.151 1.00 0.00 N ATOM 0 H LYS A 73 -1.505 -5.471 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 73 0.511 -7.353 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.505 -6.401 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -0.197 -7.381 -7.987 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -1.642 -8.357 -5.542 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.460 -8.465 -7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.036 -10.077 -7.895 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.367 -9.398 -7.093 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.482 -10.277 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.847 -10.993 -5.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.097 -12.607 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.309 -12.344 -7.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.014 -11.650 -6.236 1.00 0.00 H new ATOM 1205 N GLU A 74 2.147 -6.861 -7.424 1.00 0.00 N ATOM 1206 CA GLU A 74 3.361 -6.465 -8.136 1.00 0.00 C ATOM 1207 C GLU A 74 3.132 -5.205 -8.962 1.00 0.00 C ATOM 1208 O GLU A 74 4.051 -4.419 -9.187 1.00 0.00 O ATOM 1209 CB GLU A 74 3.837 -7.600 -9.045 1.00 0.00 C ATOM 1210 CG GLU A 74 4.653 -8.658 -8.322 1.00 0.00 C ATOM 1211 CD GLU A 74 5.955 -8.113 -7.770 1.00 0.00 C ATOM 1212 OE1 GLU A 74 6.544 -7.218 -8.412 1.00 0.00 O ATOM 1213 OE2 GLU A 74 6.387 -8.580 -6.695 1.00 0.00 O ATOM 0 H GLU A 74 1.912 -7.849 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 74 4.128 -6.252 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.970 -8.074 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.437 -7.180 -9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.062 -9.073 -7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.868 -9.477 -9.008 1.00 0.00 H new ATOM 1220 N ASN A 75 1.900 -5.019 -9.404 1.00 0.00 N ATOM 1221 CA ASN A 75 1.538 -3.853 -10.199 1.00 0.00 C ATOM 1222 C ASN A 75 1.592 -2.594 -9.351 1.00 0.00 C ATOM 1223 O ASN A 75 2.024 -1.534 -9.804 1.00 0.00 O ATOM 1224 CB ASN A 75 0.129 -4.020 -10.761 1.00 0.00 C ATOM 1225 CG ASN A 75 0.050 -5.105 -11.818 1.00 0.00 C ATOM 1226 OD1 ASN A 75 0.957 -5.256 -12.637 1.00 0.00 O ATOM 1227 ND2 ASN A 75 -1.038 -5.866 -11.806 1.00 0.00 N ATOM 0 H ASN A 75 1.129 -5.662 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 75 2.250 -3.763 -11.019 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.557 -4.259 -9.948 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -0.202 -3.074 -11.190 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.147 -6.611 -12.494 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.765 -5.705 -11.109 1.00 0.00 H new ATOM 1234 N ALA A 76 1.122 -2.737 -8.121 1.00 0.00 N ATOM 1235 CA ALA A 76 1.062 -1.648 -7.154 1.00 0.00 C ATOM 1236 C ALA A 76 2.149 -0.607 -7.351 1.00 0.00 C ATOM 1237 O ALA A 76 3.305 -0.932 -7.615 1.00 0.00 O ATOM 1238 CB ALA A 76 1.109 -2.198 -5.741 1.00 0.00 C ATOM 0 H ALA A 76 0.767 -3.623 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 76 0.113 -1.138 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.063 -1.375 -5.028 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.261 -2.864 -5.581 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.037 -2.752 -5.597 1.00 0.00 H new ATOM 1244 N VAL A 77 1.739 0.650 -7.227 1.00 0.00 N ATOM 1245 CA VAL A 77 2.627 1.785 -7.394 1.00 0.00 C ATOM 1246 C VAL A 77 1.886 3.074 -7.007 1.00 0.00 C ATOM 1247 O VAL A 77 0.705 3.225 -7.318 1.00 0.00 O ATOM 1248 CB VAL A 77 3.092 1.870 -8.867 1.00 0.00 C ATOM 1249 CG1 VAL A 77 3.424 3.299 -9.286 1.00 0.00 C ATOM 1250 CG2 VAL A 77 4.279 0.956 -9.111 1.00 0.00 C ATOM 0 H VAL A 77 0.777 0.907 -7.007 1.00 0.00 H new ATOM 0 HA VAL A 77 3.499 1.662 -6.751 1.00 0.00 H new ATOM 0 HB VAL A 77 2.258 1.536 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.745 3.307 -10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.539 3.926 -9.174 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.225 3.686 -8.656 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.589 1.032 -10.153 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.105 1.252 -8.464 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.997 -0.074 -8.891 1.00 0.00 H new ATOM 1260 N PRO A 78 2.558 4.019 -6.327 1.00 0.00 N ATOM 1261 CA PRO A 78 1.944 5.282 -5.910 1.00 0.00 C ATOM 1262 C PRO A 78 1.979 6.361 -6.997 1.00 0.00 C ATOM 1263 O PRO A 78 2.120 7.543 -6.693 1.00 0.00 O ATOM 1264 CB PRO A 78 2.804 5.694 -4.732 1.00 0.00 C ATOM 1265 CG PRO A 78 4.164 5.177 -5.059 1.00 0.00 C ATOM 1266 CD PRO A 78 3.967 3.936 -5.896 1.00 0.00 C ATOM 0 HA PRO A 78 0.885 5.162 -5.682 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.811 6.777 -4.606 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.431 5.267 -3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.741 5.924 -5.604 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.719 4.946 -4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 78 4.645 3.918 -6.749 1.00 0.00 H new ATOM 0 HD3 PRO A 78 4.156 3.031 -5.319 1.00 0.00 H new ATOM 1274 N THR A 79 1.859 5.926 -8.256 1.00 0.00 N ATOM 1275 CA THR A 79 1.873 6.805 -9.440 1.00 0.00 C ATOM 1276 C THR A 79 1.908 8.305 -9.119 1.00 0.00 C ATOM 1277 O THR A 79 2.781 9.021 -9.605 1.00 0.00 O ATOM 1278 CB THR A 79 0.655 6.506 -10.315 1.00 0.00 C ATOM 1279 OG1 THR A 79 -0.433 6.062 -9.525 1.00 0.00 O ATOM 1280 CG2 THR A 79 0.919 5.451 -11.368 1.00 0.00 C ATOM 0 H THR A 79 1.748 4.939 -8.489 1.00 0.00 H new ATOM 0 HA THR A 79 2.804 6.584 -9.963 1.00 0.00 H new ATOM 0 HB THR A 79 0.422 7.446 -10.816 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.235 6.576 -9.755 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.014 5.287 -11.953 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.721 5.786 -12.026 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.212 4.519 -10.884 1.00 0.00 H new ATOM 1288 N ILE A 80 0.938 8.785 -8.343 1.00 0.00 N ATOM 1289 CA ILE A 80 0.849 10.199 -8.006 1.00 0.00 C ATOM 1290 C ILE A 80 2.212 10.834 -7.701 1.00 0.00 C ATOM 1291 O ILE A 80 2.412 12.024 -7.944 1.00 0.00 O ATOM 1292 CB ILE A 80 -0.129 10.437 -6.847 1.00 0.00 C ATOM 1293 CG1 ILE A 80 -1.533 10.432 -7.425 1.00 0.00 C ATOM 1294 CG2 ILE A 80 0.147 11.761 -6.137 1.00 0.00 C ATOM 1295 CD1 ILE A 80 -2.606 10.622 -6.397 1.00 0.00 C ATOM 0 H ILE A 80 0.201 8.210 -7.936 1.00 0.00 H new ATOM 0 HA ILE A 80 0.464 10.695 -8.897 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.010 9.650 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.612 11.223 -8.171 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.700 9.487 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.566 11.893 -5.323 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.160 11.754 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.044 12.582 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.582 10.607 -6.883 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.554 9.817 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.464 11.580 -5.896 1.00 0.00 H new ATOM 1307 N PHE A 81 3.148 10.043 -7.174 1.00 0.00 N ATOM 1308 CA PHE A 81 4.475 10.543 -6.854 1.00 0.00 C ATOM 1309 C PHE A 81 5.532 9.892 -7.740 1.00 0.00 C ATOM 1310 O PHE A 81 6.700 9.796 -7.363 1.00 0.00 O ATOM 1311 CB PHE A 81 4.825 10.314 -5.374 1.00 0.00 C ATOM 1312 CG PHE A 81 3.768 10.762 -4.406 1.00 0.00 C ATOM 1313 CD1 PHE A 81 2.492 10.227 -4.454 1.00 0.00 C ATOM 1314 CD2 PHE A 81 4.059 11.707 -3.436 1.00 0.00 C ATOM 1315 CE1 PHE A 81 1.527 10.626 -3.554 1.00 0.00 C ATOM 1316 CE2 PHE A 81 3.095 12.112 -2.533 1.00 0.00 C ATOM 1317 CZ PHE A 81 1.827 11.569 -2.592 1.00 0.00 C ATOM 0 H PHE A 81 3.007 9.055 -6.962 1.00 0.00 H new ATOM 0 HA PHE A 81 4.466 11.617 -7.042 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.015 9.252 -5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.753 10.840 -5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.250 9.489 -5.205 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.051 12.132 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.536 10.200 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.333 12.852 -1.783 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.071 11.882 -1.887 1.00 0.00 H new ATOM 1327 N LEU A 82 5.112 9.446 -8.919 1.00 0.00 N ATOM 1328 CA LEU A 82 6.015 8.802 -9.865 1.00 0.00 C ATOM 1329 C LEU A 82 7.130 9.752 -10.288 1.00 0.00 C ATOM 1330 O LEU A 82 6.999 10.480 -11.272 1.00 0.00 O ATOM 1331 CB LEU A 82 5.239 8.327 -11.097 1.00 0.00 C ATOM 1332 CG LEU A 82 6.099 7.723 -12.209 1.00 0.00 C ATOM 1333 CD1 LEU A 82 6.614 6.351 -11.801 1.00 0.00 C ATOM 1334 CD2 LEU A 82 5.307 7.632 -13.504 1.00 0.00 C ATOM 0 H LEU A 82 4.148 9.519 -9.243 1.00 0.00 H new ATOM 0 HA LEU A 82 6.465 7.941 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.505 7.585 -10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.683 9.171 -11.506 1.00 0.00 H new ATOM 0 HG LEU A 82 6.956 8.376 -12.374 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.223 5.937 -12.604 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.218 6.443 -10.898 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.770 5.688 -11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 82 5.934 7.200 -14.284 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.431 7.001 -13.351 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.987 8.629 -13.806 1.00 0.00 H new